Sugi Predict

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SCHEMBL757662

SCHEMBL757662

O=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 6/20 0.52
▸ LMNA P02545 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GSR P00390 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16315791 0.83 CETP (0.55) CETPLMNARAB9AMEN1KMT2A
SCHEMBL14297922 0.82 P2RX1 (0.58) CETPLMNAHTTALDH1A1MEN1
SCHEMBL761417 0.81 CETP (0.60) CETPLMNARAB9AMEN1KMT2A
SCHEMBL761231 0.80 CETP (0.63) CETPLMNAALDH1A1RAB9AMEN1
SCHEMBL3070234 0.79 USP2 (0.58) CETPL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL758325 0.78 CETP (0.57) CETPLMNAL3MBTL1ALDH1A1RAB9A
SCHEMBL761726 0.77 CETP (0.62) CETPHTTMEN1KMT2A
SCHEMBL18742053 0.77 JAK2 (0.68) LMNAHTTALDH1A1RAB9AMEN1
SCHEMBL13093888 0.76 CETP (0.53) CETPMEN1KMT2A
SCHEMBL759294 0.75 CETP (0.59) CETPALDH1A1RAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 — — EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 — — EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885LMNA 170/4885L3MBTL1 2178/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885LMNA 170/4885L3MBTL1 2178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.